Graphene-covered perovskites: An effective strategy to enhance light absorption and resist moisture degradation
Jiao, Yalong, Ma, Fengxian, Gao, Guoping, Wang, Hongxia, Bell, John, Frauenheim, Thomas, & Du, Aijun (2015) Graphene-covered perovskites: An effective strategy to enhance light absorption and resist moisture degradation. RSC Advances, 5(100), pp. 82346-82350.
The long-term stability of methylammonium lead triiodide (MAPbI3) perovskite in moist environments is a paramount challenge to realise the commercialization of perovskite solar cells. In an attempt to address this concern, we have carried out systematic first-principles studies on the MAPbI3 perovskite with a hydrophobic graphene layer interfaced as a water barrier. We find there is a charge transfer at the graphene/MAPbI3 interface and electrons can be excited from graphene into the perovskite surface, leading to well separated electron–hole pairs, i.e. reduced recombination. By studying the optical properties, we find the hybrid graphene/MAPbI3 nanocomposite displays enhanced light absorption compared with the pristine MAPbI3. Furthermore, from an ab initio molecular dynamics simulation, the graphene/MAPbI3 nanocomposite is confirmed to be able to resist the reaction with water molecules, highlighting a great advantage of this nanocomposite in promoting long-term photovoltaic performance.
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|Item Type:||Journal Article|
|Subjects:||Australian and New Zealand Standard Research Classification > PHYSICAL SCIENCES (020000) > CONDENSED MATTER PHYSICS (020400) > Condensed Matter Modelling and Density Functional Theory (020403)
Australian and New Zealand Standard Research Classification > CHEMICAL SCIENCE (030000) > THEORETICAL AND COMPUTATIONAL CHEMISTRY (030700) > Quantum Chemistry (030701)
|Divisions:||Current > Schools > School of Chemistry, Physics & Mechanical Engineering
Current > QUT Faculties and Divisions > Science & Engineering Faculty
|Copyright Owner:||Copyright 2015 The Royal Society of Chemistry|
|Deposited On:||19 Oct 2015 00:59|
|Last Modified:||06 Apr 2016 06:11|
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